SCHEMBL15426655

SCHEMBL15426655

c1ccc2oc(-c3ccn(-c4ccnc5[nH]ccc45)n3)nc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.42
HSD17B10 Q99714 5/20 0.42
NPC1 O15118 5/20 0.42
HPGD P15428 5/20 0.42
RAB9A P51151 5/20 0.42
KDM4E B2RXH2 4/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
TP53 P04637 4/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
PRKCI P41743 3/20 0.41
NUDT1 P36639 5/20 0.40
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
HCRTR1 O43613 2/20 0.37
MAPT P10636 2/20 0.37
USP2 O75604 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL99579 0.81 PRKCI (0.53) ALDH1A1HSD17B10NPC1HPGDRAB9A
SCHEMBL29540619 0.78 JAK2 (0.52) PRKCINUDT1MAPK1AKT2IKBKB
SCHEMBL100939 0.78 JAK2 (0.52) PRKCINUDT1MAPK1AKT2IKBKB
Trifluoroacetic Acid SCHEMBL4082523 0.73 PRKCI (0.44) ALDH1A1HSD17B10NPC1HPGDRAB9A
SCHEMBL100370 0.72 PRKCI (0.52) PRKCINUDT1AKT2IKBKBCHUK
SCHEMBL10179493 0.72 PRKCI (0.42) PRKCINUDT1AKT2IKBKBCHUK
SCHEMBL27762526 0.72 BRD4 (0.44) PRKCINUDT1MAPTIKBKBCHUK
SCHEMBL102456 0.72 PRKCI (0.46) PRKCINUDT1AKT2IKBKBCHUK
SCHEMBL29540449 0.72 PRKCI (0.46) PRKCINUDT1AKT2IKBKBCHUK
SCHEMBL29540558 0.72 MAPK14 (0.48) PRKCINUDT1MAPK1AKT2IKBKB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8933086-B2 Heteroaryl substituted pyrrolo[2,3-B]pyridines and pyrrolo[2,3-B]pyrimidines as Janus kinase inhibitors INCYTE CORPORATION (US) 2015-01-13 US disclosed
US-8933086-B2 Heteroaryl substituted pyrrolo[2,3-B]pyridines and pyrrolo[2,3-B]pyrimidines as Janus kinase inhibitors INCYTE CORPORATION (US) 2015-01-13 US disclosed
US-20140018374-A1 Heteroaryl Substituted Pyrrolo[2,3-B]Pyridines And Pyrrolo[2,3-B]Pyrimidines As Janus Kinase Inhibitors INCYTE CORPORATION (US) 2014-01-16 US disclosed
US-20140018374-A1 Heteroaryl Substituted Pyrrolo[2,3-B]Pyridines And Pyrrolo[2,3-B]Pyrimidines As Janus Kinase Inhibitors INCYTE CORPORATION (US) 2014-01-16 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20140018374-A1 Heteroaryl Substituted Pyrrolo[2,3-B]Pyridines And Pyrrolo[2,3-B]Pyrimidines As Janus Kinase Inhibitors JAK3, JAK1, JAK2 ALDH1A1 3413/4885HSD17B10 3132/4885NPC1 4797/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.